(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine

C8H15F3N2O — CID 102985273

IUPAC(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(CCOC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)14-5-4-13-3-1-2-7(12)6-13/h7H,1-6,12H2/t7-/m1/s1
InChIKeyIMDVJNXJZPAMOU-SSDOTTSWSA-N
MW212.21 g/mol
LogP0.95
Rot. Bonds3

About (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine

(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine (PubChem CID 102985273) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine
PubChem CID102985273
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(CCOC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)14-5-4-13-3-1-2-7(12)6-13/h7H,1-6,12H2/t7-/m1/s1
InChIKeyIMDVJNXJZPAMOU-SSDOTTSWSA-N
XLogP0.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-2-propylpiperazine
CID 64832331
4,4-Difluoro-3-(morpholin-4-yl)butan-1-amine
CID 137698858
1-(2-Methoxyethyl)piperidin-3-amine
CID 50989308
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
1-[2-(Trifluoromethoxy)ethyl]piperidin-4-amine
CID 65803376
1-[2-(Trifluoromethoxy)ethyl]piperidin-3-amine
CID 65805892
3-Fluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 119054836
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine;dihydrochloride
CID 122669557
(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-amine
CID 122669558
4-(Difluoromethoxy)-1-methylpiperidin-3-amine
CID 129230034
(3S,4R)-4-(difluoromethoxy)-1-methylpiperidin-3-amine
CID 129230044
4-(Difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231168

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine (CID 102985273) is (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine is N[C@@H]1CCCN(CCOC(F)(F)F)C1.
What is the InChIKey of (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine?
The InChIKey is IMDVJNXJZPAMOU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)14-5-4-13-3-1-2-7(12)6-13/h7H,1-6,12H2/t7-/m1/s1.
What are the key properties of (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine?
(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine has a molecular weight of 212.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 102985273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).